Dragmacidin A; N4-Me
AlkaPlorer ID: AK297068
Synonym: Dragmacidin B
IUPAC Name: 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
Structure
SMILES: CN1CC(C2=CNC3=CC(Br)=CC=C23)N(C)CC1C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C22H22Br2N4/c1-27-11-22(18-10-26-20-8-14(24)4-6-16(18)20)28(2)12-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h3-10,21-22,25-26H,11-12H2,1-2H3
InChIKey: GRBPIEOBAMGKFD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hexadella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 502.2540000000001
TPSA？: 38.06
MolLogP？: 5.833800000000004
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1000.0 | nM | 10.1016/j.ejmech.2017.04.078 |
| Homo sapiens | HCT-8 | IC50 | 1000.0 | nM | 10.1016/j.ejmech.2017.04.078 |
| Homo sapiens | MDA-MB-231 | IC50 | 1000.0 | nM | 10.1016/j.ejmech.2017.04.078 |
| Mus musculus | P388 | IC50 | 15000.0 | nM | 10.1016/j.ejmech.2017.04.078 |